Correlation energy of the spin-polarized uniform electron gas at high density

Pierre-François Loos and Peter M. W. Gill
Phys. Rev. B 84, 033103 – Published 21 July 2011

Abstract

The correlation energy per electron in the high-density uniform electron gas can be written as Ec(rs,ζ)=λ0(ζ)lnrs+ɛ0(ζ)+λ1(ζ)rslnrs+O(rs), where rs is the Seitz radius and ζ is the relative spin polarization. We derive an expression for λ1(ζ) that is exact for any ζ, including the paramagnetic and ferromagnetic limits, λ1(0) and λ1(1), and discover that the previously published λ1(1) value is incorrect. We trace this error to an integration and limit that do not commute. The spin resolution of λ1(ζ) into contributions of electron pairs is also derived.

  • Figure
  • Figure
  • Received 17 May 2011

DOI:https://doi.org/10.1103/PhysRevB.84.033103

©2011 American Physical Society

Authors & Affiliations

Pierre-François Loos* and Peter M. W. Gill

  • Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia

  • *loos@rsc.anu.edu.au
  • Corresponding author: peter.gill@anu.edu.au

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Issue

Vol. 84, Iss. 3 — 15 July 2011

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